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SCHEMBL10116489

SCHEMBL10116489

Cc1cc(N2C[C@@H](C)O[C@@H](C)C2)ccc1NC(=O)c1ccc(NS(=O)(=O)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10116486 0.90 KDM4E (0.41) THRBMAPTCRHBPCRHR2RXFP1
SCHEMBL10133620 0.90 KDM4E (0.41) THRBMAPTCRHBPCRHR2RXFP1
SCHEMBL13204903 0.90 KDM4E (0.41) THRBMAPTCRHBPCRHR2RXFP1
SCHEMBL10133266 0.89 THRB (0.44) THRBMAPTCRHBPCRHR2RXFP1
SCHEMBL10116590 0.89 THRB (0.44) THRBMAPTCRHBPCRHR2RXFP1
SCHEMBL10134215 0.88 THRB (0.40) THRBMAPTCRHBPCRHR2RXFP1
SCHEMBL10116596 0.88 THRB (0.40) THRBMAPTCRHBPCRHR2RXFP1
SCHEMBL10116505 0.88 MAPT (0.52) THRBMAPTRXFP1KMT2AMEN1
SCHEMBL10133455 0.88 MAPT (0.52) THRBMAPTRXFP1KMT2AMEN1
SCHEMBL10114527 0.88 MAPT (0.52) THRBMAPTRXFP1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R THRB 414/4885MAPT 3602/4885CRHBP 238/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 417/4885MAPT 3367/4885CRHBP 256/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R THRB 409/4885MAPT 3683/4885CRHBP 247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.